(4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide

C14H20ClN3O2 — CID 134479472

IUPAC(4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide
SMILESCCC[C@@H](N)CCC(=O)N(C(N)=O)c1ccccc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-2-5-10(16)8-9-13(19)18(14(17)20)12-7-4-3-6-11(12)15/h3-4,6-7,10H,2,5,8-9,16H2,1H3,(H2,17,20)/t10-/m1/s1
InChIKeyBPVGQUJIAPQKTL-SNVBAGLBSA-N
MW297.79 g/mol
LogP2.66
Rot. Bonds6

About (4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide

(4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide (PubChem CID 134479472) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is (4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide.

Molecular Properties

Compound Name(4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide
PubChem CID134479472
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name(4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide
SMILESCCC[C@@H](N)CCC(=O)N(C(N)=O)c1ccccc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-2-5-10(16)8-9-13(19)18(14(17)20)12-7-4-3-6-11(12)15/h3-4,6-7,10H,2,5,8-9,16H2,1H3,(H2,17,20)/t10-/m1/s1
InChIKeyBPVGQUJIAPQKTL-SNVBAGLBSA-N
XLogP2.66
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24818619
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CID 11771739
1-(2-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783422
1-(2-Chlorophenyl)-3-heptan-4-ylurea
CID 11402945
3-(2-Chlorophenyl)-1,1-diisopropylurea
CID 4171803
N-(2-chlorophenyl)tetradecanamide
CID 3629784
N-(2-chlorophenyl)hexanamide
CID 4644560
Heptanoic acid {2-[3-(3-chloro-phenyl)-ureido]-ethyl}-amide
CID 11484196
N-(((2-Chlorophenyl)amino)carbonyl)-2-methyl-1-piperidineacetamide
CID 3041062
Imidodicarbonic diamide, N-(2-chlorophenyl)-N'-ethyl-
CID 3059244
Octadec-9-enoic acid (2-chloro-phenyl)-amide
CID 44288262
2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide
CID 47112287

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide?
The IUPAC name of (4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide (CID 134479472) is (4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide.
What is the SMILES notation for (4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide?
The canonical SMILES for (4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide is CCC[C@@H](N)CCC(=O)N(C(N)=O)c1ccccc1Cl.
What is the InChIKey of (4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide?
The InChIKey is BPVGQUJIAPQKTL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-2-5-10(16)8-9-13(19)18(14(17)20)12-7-4-3-6-11(12)15/h3-4,6-7,10H,2,5,8-9,16H2,1H3,(H2,17,20)/t10-/m1/s1.
What are the key properties of (4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide?
(4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide has a molecular weight of 297.79 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-N-carbamoyl-N-(2-chlorophenyl)heptanamide is sourced from PubChem (CID 134479472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).